[8-[2-[(oxan-3-yloxycarbonylamino)methyl]heptadecoxy]-7-oxidanyl-octyl] 4-methylbenzenesulfonate

Systemtic Name: [8-[2-[(oxan-3-yloxycarbonylamino)methyl]heptadecoxy]-7-oxidanyl-octyl] 4-methylbenzenesulfonate Openeye Name: [7-hydroxy-8-[2-[(tetrahydropyran-3-yloxycarbonylamino)methyl]heptadecoxy]octyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-hydroxy-8-[2-[[[3-oxanyloxy(oxo)methyl]amino]methyl]heptadecoxy]octyl] ester IUPAC Name: [7-hydroxy-8-[2-[(oxan-3-yloxycarbonylamino)methyl]heptadecoxy]octyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [7-hydroxy-8-[2-[(tetrahydropyran-3-yloxycarbonylamino)methyl]heptadecoxy]octyl] ester Formula: C39H69NO8S MolecularWeight: 712.03206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CNC(=O)OC1CCCOC1)COCC(CCCCCCOS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CNC(=O)OC1CCCOC1)COCC(CCCCCCOS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C39H69NO8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-35(30-40-39(42)48-37-23-20-28-45-33-37)31-46-32-36(41)22-18-15-16-19-29-47-49(43,44)38-26-24-34(2)25-27-38/h24-27,35-37,41H,3-23,28-33H2,1-2H3,(H,40,42)